Geometry & MOs

Info

ID:	296680
PubChem CID:	117588358
Reduced:	N3S3O5H21C23 (1)
Stoich.:	A3B3C5D21E23 (1)
Weight, g/mol:	379.95787
ΔH_f, kcal/mol:	-87.47
Dipole, Da:	6.69
IP(EA), eV:	-8.85(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-bromo-2-[(Z)-(6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CC=CC=C1)N2C(=O)/C(=C/N3C(CC(=N3)C4=CC=CS4)C(=O)O)/SC2=S

DOS

IR

Vibrations